2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide

C12H15F3N2 — CID 15738788

IUPAC2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide
SMILESCC(C)(C)/C(N)=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2/c1-11(2,3)10(16)17-9-7-5-4-6-8(9)12(13,14)15/h4-7H,1-3H3,(H2,16,17)
InChIKeyRFGMJDMSGHNJJH-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.74
Rot. Bonds1

About 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide

2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide (PubChem CID 15738788) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide
PubChem CID15738788
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide
SMILESCC(C)(C)/C(N)=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2/c1-11(2,3)10(16)17-9-7-5-4-6-8(9)12(13,14)15/h4-7H,1-3H3,(H2,16,17)
InChIKeyRFGMJDMSGHNJJH-UHFFFAOYSA-N
XLogP3.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide (CID 15738788) is 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide is CC(C)(C)/C(N)=N/c1ccccc1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide?
The InChIKey is RFGMJDMSGHNJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-11(2,3)10(16)17-9-7-5-4-6-8(9)12(13,14)15/h4-7H,1-3H3,(H2,16,17).
What are the key properties of 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide?
2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide has a molecular weight of 244.26 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide is sourced from PubChem (CID 15738788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).